trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane

C12H20F3NO2SSi — CID 12992803

IUPACtrimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane
SMILESCC(OCOCC[Si](C)(C)C)(c1nccs1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2SSi/c1-11(12(13,14)15,10-16-5-7-19-10)18-9-17-6-8-20(2,3)4/h5,7H,6,8-9H2,1-4H3
InChIKeyAIVHFWQDKUTOFL-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.25
Rot. Bonds7

About trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane

trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane (PubChem CID 12992803) has the molecular formula C12H20F3NO2SSi and a molecular weight of 327.44 g/mol. Its IUPAC name is trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane
PubChem CID12992803
Molecular FormulaC12H20F3NO2SSi
Molecular Weight327.44 g/mol
Exact Mass327.09
IUPAC Nametrimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane
SMILESCC(OCOCC[Si](C)(C)C)(c1nccs1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2SSi/c1-11(12(13,14)15,10-16-5-7-19-10)18-9-17-6-8-20(2,3)4/h5,7H,6,8-9H2,1-4H3
InChIKeyAIVHFWQDKUTOFL-UHFFFAOYSA-N
XLogP4.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 11047169
3,3,3-Trifluoro-1-(1,3-thiazol-2-yl)-2-(2-trimethylsilylethoxymethoxymethyl)propan-1-ol
CID 69948578
1,1,1-Trifluoro-2-(1,3-thiazol-2-yl)-4-(2-trimethylsilylethoxymethoxy)butan-2-ol
CID 69948580
2-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
CID 86213976
2-(1-Methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}ethyl)thiazole
CID 10869473
2-{1-[(2-Trimethylsilylethoxy)methoxy]cyclobutyl}thiazole
CID 12992804
2-{1-[(2-Trimethylsilylethoxy)methoxy]cyclohexyl}thiazole
CID 12992805
Trimethyl-[2-[1-[1-(1,3-thiazol-2-yl)cyclobutyl]oxyethoxy]ethyl]silane
CID 18006155
2-(1-(t-Butyldimethylsiloxy)-2-(methoxymethoxy)ethyl)thiazole
CID 22406983
2-(1,1-Diethoxyethyl)-1,3-thiazole
CID 67257212
Tert-butyl-[1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)ethoxy]-dimethylsilane
CID 67808652
Trimethyl-[2-[2-(1,3-thiazol-2-yl)propoxymethoxy]ethyl]silane
CID 69679575

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane (CID 12992803) is trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane is CC(OCOCC[Si](C)(C)C)(c1nccs1)C(F)(F)F.
What is the InChIKey of trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane?
The InChIKey is AIVHFWQDKUTOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2SSi/c1-11(12(13,14)15,10-16-5-7-19-10)18-9-17-6-8-20(2,3)4/h5,7H,6,8-9H2,1-4H3.
What are the key properties of trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane?
trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane has a molecular weight of 327.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane is sourced from PubChem (CID 12992803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).